Geometry & MOs

Info

ID:	35852
PubChem CID:	7980405
Reduced:	BrNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-62.21
Dipole, Da:	3.09
IP(EA), eV:	-9.71(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-[(4-butoxybenzoyl)amino]acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)/C=C/C2=CC(=CC=C2)Br

DOS

IR

Vibrations